SCHEMBL10044834

SCHEMBL10044834

C=CCNC(=O)c1c(I)c(NC(=O)COC(C)=O)c(I)c(C(=O)NCC(C)(CNC(=O)c2c(I)c(NC(=O)COC(C)=O)c(I)c(C(=O)NCC=C)c2I)CNC(=O)c2c(I)c(NC(=O)COC(C)=O)c(I)c(C(=O)NCC=C)c2I)c1I

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13267665 0.88 LMNA (0.39) LMNAALDH1A1KDM4ETDP1HPGD
SCHEMBL709354 0.87 LMNA (0.39) LMNAALDH1A1KDM4ETDP1HPGD
SCHEMBL10044852 0.86 LMNA (0.46) LMNA
SCHEMBL10044836 0.82 LMNA (0.57) LMNAALDH1A1SMN1; SMN2
SCHEMBL10044853 0.76 LMNA (0.69) LMNA
SCHEMBL9353102 0.74 LMNA (0.39) LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL13246457 0.74 LMNA (0.46) LMNA
SCHEMBL13360114 0.74 LMNA (0.46) LMNA
SCHEMBL9564013 0.73 LMNA (0.50) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL13136677 0.73 LMNA (0.52) LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090053142-A1 CONTRAST AGENTS IPO4, TPO, IPO11 LMNA 2151/4885ALDH1A1 3352/4885KDM4E 3660/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.